5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-piperidin-2-ylethyl)thiophene-2-carboxamide

C25H28N8O3S — CID 137156223

About 5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-piperidin-2-ylethyl)thiophene-2-carboxamide

5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-piperidin-2-ylethyl)thiophene-2-carboxamide (PubChem CID 137156223) has the molecular formula C25H28N8O3S and a molecular weight of 520.62 g/mol. Its IUPAC name is 5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-piperidin-2-ylethyl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-piperidin-2-ylethyl)thiophene-2-carboxamide
• PubChem CID: 137156223
• Molecular Formula: C25H28N8O3S
• Molecular Weight: 520.62 g/mol
• Exact Mass: 520.20
• IUPAC Name: 5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-piperidin-2-ylethyl)thiophene-2-carboxamide
• SMILES: O=C(NCCC1CCCCN1)c1ccc(-c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)s1
• InChI: InChI=1S/C25H28N8O3S/c34-23-18(31-25(36)32-23)11-14-13-28-33-21(29-16-4-5-16)12-17(30-22(14)33)19-6-7-20(37-19)24(35)27-10-8-15-3-1-2-9-26-15/h6-7,11-13,15-16,26,34H,1-5,8-10H2,(H,27,35)(H2,31,32,36)/b14-11?,29-21+
• InChIKey: NEGLECHGWBCVLU-GYJFLYELSA-N
• XLogP: 1.05
• TPSA: 152.56 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.62
LogP ≤ 5	1.05
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-piperidin-2-ylethyl)thiophene-2-carboxamide?

The IUPAC name of 5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-piperidin-2-ylethyl)thiophene-2-carboxamide (CID 137156223) is 5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-piperidin-2-ylethyl)thiophene-2-carboxamide.

What is the SMILES notation for 5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-piperidin-2-ylethyl)thiophene-2-carboxamide?

The canonical SMILES for 5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-piperidin-2-ylethyl)thiophene-2-carboxamide is O=C(NCCC1CCCCN1)c1ccc(-c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)s1.

What is the InChIKey of 5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-piperidin-2-ylethyl)thiophene-2-carboxamide?

The InChIKey is NEGLECHGWBCVLU-GYJFLYELSA-N. The full InChI is InChI=1S/C25H28N8O3S/c34-23-18(31-25(36)32-23)11-14-13-28-33-21(29-16-4-5-16)12-17(30-22(14)33)19-6-7-20(37-19)24(35)27-10-8-15-3-1-2-9-26-15/h6-7,11-13,15-16,26,34H,1-5,8-10H2,(H,27,35)(H2,31,32,36)/b14-11?,29-21+.

What are the key properties of 5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-piperidin-2-ylethyl)thiophene-2-carboxamide?

5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-piperidin-2-ylethyl)thiophene-2-carboxamide has a molecular weight of 520.62 g/mol, XLogP of 1.05, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-piperidin-2-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 137156223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).